2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide

C25H32N4O3Si — CID 154406816

IUPAC2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide
SMILESCCOc1ccc(C(NC(=O)Cc2cnn(C)c2)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C25H32N4O3Si/c1-6-32-21-11-7-19(8-12-21)24(28-23(30)15-18-16-26-29(2)17-18)25(31)27-20-9-13-22(14-10-20)33(3,4)5/h7-14,16-17,24H,6,15H2,1-5H3,(H,27,31)(H,28,30)
InChIKeyLEIBDMWAGBTINI-UHFFFAOYSA-N
MW464.64 g/mol
LogP3.40
Rot. Bonds9

About 2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide

2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide (PubChem CID 154406816) has the molecular formula C25H32N4O3Si and a molecular weight of 464.64 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide
PubChem CID154406816
Molecular FormulaC25H32N4O3Si
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC Name2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide
SMILESCCOc1ccc(C(NC(=O)Cc2cnn(C)c2)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C25H32N4O3Si/c1-6-32-21-11-7-19(8-12-21)24(28-23(30)15-18-16-26-29(2)17-18)25(31)27-20-9-13-22(14-10-20)33(3,4)5/h7-14,16-17,24H,6,15H2,1-5H3,(H,27,31)(H,28,30)
InChIKeyLEIBDMWAGBTINI-UHFFFAOYSA-N
XLogP3.40
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406834
2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406830
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
(3R,4S)-N-(4-ethoxyphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917018
2-(4-aminopyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 43445275
N-(4-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53026936
2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-3-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781161
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124250
(2R)-2-bromo-N-(4-ethoxyphenyl)-3-methylbutanamide
CID 7079963
2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119261958
1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874290

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide (CID 154406816) is 2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide is CCOc1ccc(C(NC(=O)Cc2cnn(C)c2)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide?
The InChIKey is LEIBDMWAGBTINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3Si/c1-6-32-21-11-7-19(8-12-21)24(28-23(30)15-18-16-26-29(2)17-18)25(31)27-20-9-13-22(14-10-20)33(3,4)5/h7-14,16-17,24H,6,15H2,1-5H3,(H,27,31)(H,28,30).
What are the key properties of 2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide?
2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide has a molecular weight of 464.64 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide is sourced from PubChem (CID 154406816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).